| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_lanczos.f90 | 104 CALL lr_apply_liouvillian_eels(evc1(1,1,1,1),evc1_new(1,1,1,1),.true.)
106 CALL lr_apply_liouvillian_eels(evc1(1,1,1,2),evc1_new(1,1,1,2),.false.)
110 CALL lr_apply_liouvillian_eels(evc1(1,1,1,1),evc1_new(1,1,1,1),.false.)
112 CALL lr_apply_liouvillian_eels(evc1(1,1,1,2),evc1_new(1,1,1,2),.true.)
126 CALL lr_apply_liouvillian(evc1(1,1,1,1),evc1_new(1,1,1,1),.true.)
128 CALL lr_apply_liouvillian(evc1(1,1,1,2),evc1_new(1,1,1,2),.false.)
132 CALL lr_apply_liouvillian(evc1(1,1,1,1),evc1_new(1,1,1,1),.false.)
134 CALL lr_apply_liouvillian(evc1(1,1,1,2),evc1_new(1,1,1,2),.true.)
142 CALL lr_apply_liouvillian(evc1(1,1,1,1),evc1_new(1,1,1,1),.true.)
146 CALL zcopy(size_evc,evc1_new(1,1,1,1),1,evc1_new(1,1,1,2),1)
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| H A D | lr_apply_liouvillian.f90 | 70 COMPLEX(DP), INTENT(OUT) :: evc1_new(npwx*npol,nbnd,nks) local
100 evc1_new(:,:,:) = (0.0d0,0.0d0)
230 & evc1_new(:,:,:), 1, sevc1_new(:,:,:), 1)
242 & evc1_new(:,:,:) , 1, sevc1_new(:,:,:),1)
299 & sevc1_new(1,1,ik), evc1_new(1,1,ik))
406 evc1_new(:,:,:) = (0.0d0,0.0d0)
506 CALL fwfft_orbital_gamma (evc1_new(:,:,1), ibnd, nbnd,.false.)
511 CALL mp_sum( evc1_new(:,:,1), inter_bgrp_comm )
518 2*npwx, becp2, nkb, 1.d0, evc1_new, 2*npwx )
595 evc1_new(:,:,:) = (0.0d0,0.0d0)
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| H A D | lr_dealloc.f90 | 44 IF (allocated(evc1_new)) DEALLOCATE(evc1_new)
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| H A D | lr_alloc_init.f90 | 102 ALLOCATE(evc1_new(npwx*npol,nbnd,nksq,2))
117 evc1_new(:,:,:,:) = (0.0d0,0.0d0)
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| H A D | lr_apply_liouvillian_eels.f90 | 43 COMPLEX(DP), INTENT(OUT) :: evc1_new(npwx*npol,nbnd,nksq) local
295 & sevc1_new(1,1,ik), evc1_new(1,1,ik))
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| H A D | lr_variables.f90 | 82 evc1_new(:,:,:,:), & ! " " variable
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| H A D | lr_write_restart.f90 | 22 evc1,evc1_new,evc1_old,iunrestart, nwordrestart, &
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